Basic information
- CAS
959576-28-4- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](Cc2ccc(Br)cc2)C[C@H]1C(=O)O- InChIKey
QZQORNWXNRXMOS-OCCSQVGLSA-N- Molecular formula
- C17H22BrNO4
- Average molar mass
- 384.3 g/mol
- Monoisotopic mass
- 383.07322
Names & identifiers
- Preferred name
- (2S,4R)-4-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-4-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- English name
- (2S,4R)-4-(4-broMobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
- Molecular formula
- C17H22BrNO4
- Molecular weight
- 384.26
Names & synonyms
959576-28-4(2S,4R)-4-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid(2S,4R)-4-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acidMFCD06659403Boc-(R)-gamma-(4-bromo-benzyl)-L-proline(2S,4R)-4-[(4-bromophenyl)methyl]-1-[(tert-butoxy)carbonyl]pyrrolidine-2-carboxylic acidSCHEMBL21409422DTXSID60376016AKOS015949748(2S,4R)-4-(4-Bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylicacid(2S,4R)-4-[(4-bromophenyl)methyl]-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acidAS-73611
Show more names
Boc-(R)-γ-(4-bromo-benzyl)-L-proline(Tert-Butoxy)Carbonyl (R)-γ-(4-bromo-benzyl)-L-ProN-(t-Butoxycarbonyl)-trans-4-(4-bromobenzyl)-L-proline(2S,4R)-1-(tert-Butoxycarbonyl)-4-(4-bromobenzyl)pyrrolidine-2-carboxylicacidBoc-(2S,4R)-4-(4-bromobenzyl)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylicacid1,2-Pyrrolidinedicarboxylic acid, 4-[(4-bromophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 440
Physicochemical properties
- Boiling point
- 493.3 · 493.3±35.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.96 · 3.96±0.40(Predicted)
Chemistry & industry
Suppliers28 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
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杭州品高化工有限公司0571-87658025 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
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上海研纷生化科技有限公司13611955358 15002190549 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳乾延药物研发科技有限公司0755-28682735 13538090636 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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